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Substance Name: Benzoylbenzoyl-troponin I inhibitory peptide (104-115)
RN: 154099-03-3
InChIKey: JKKPSTXVKNWEAH-VWHZSNQBSA-N

Note

  • Met-155 of troponin C crosslinks to the BB moiety of BBIp in either the presence or absence of calcium.

Molecular Weight

  • 1717.1
 
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Names and Synonyms

Name of Substance

  • Benzoylbenzoyl-troponin I inhibitory peptide (104-115)

Synonym

  • BBIp

Registry Numbers

CAS Registry Number

  • 154099-03-3

System Generated Number

  • 0154099033

Structure Descriptors

InChI

1S/C82H129N27O14/c1-48(2)45-60(73(118)103-57(28-16-40-95-80(88)89)70(115)101-58(29-17-41-96-81(90)91)72(117)107-65(49(3)4)76(121)100-54(67(85)112)27-15-39-94-79(86)87)106-75(120)62-31-19-43-108(62)78(123)63-32-20-44-109(63)77(122)59(30-18-42-97-82(92)93)104-71(116)56(26-12-14-38-84)102-74(119)61(46-50-21-7-5-8-22-50)105-69(114)55(25-11-13-37-83)99-64(110)47-98-68(113)53-35-33-52(34-36-53)66(111)51-23-9-6-10-24-51/h5-10,21-24,33-36,48-49,54-63,65H,11-20,25-32,37-47,83-84H2,1-4H3,(H2,85,112)(H,98,113)(H,99,110)(H,100,121)(H,101,115)(H,102,119)(H,103,118)(H,104,116)(H,105,114)(H,106,120)(H,107,117)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-/m0/s1

InChIKey

JKKPSTXVKNWEAH-VWHZSNQBSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(c1ccc(cc1)C(c1ccccc1)=O)=O)=O)CCCCN)=O)Cc1ccccc1)=O)CCCCN)=O)CCCNC(=N)N)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)C(C)C)=O)CCCNC(=N)N)(=O)N